CID 199939

5301-38-2

Structural Information

Molecular Formula

C₅H₉Cl₂O₄P

SMILES

CCOP(=O)(OC)OC=C(Cl)Cl

InChI

InChI=1S/C5H9Cl2O4P/c1-3-10-12(8,9-2)11-4-5(6)7/h4H,3H2,1-2H3

InChIKey

JEIAAOWEWXSKGZ-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl ethyl methyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 233.96155 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.96883	140.7
[M+Na]+	256.95077	150.2
[M-H]-	232.95427	140.3
[M+NH4]+	251.99537	160.9
[M+K]+	272.92471	147.6
[M+H-H2O]+	216.95881	136.5
[M+HCOO]-	278.95975	159.6
[M+CH3COO]-	292.97540	186.3
[M+Na-2H]-	254.93622	144.2
[M]+	233.96100	149.4
[M]-	233.96210	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe